FT-IR, UV, NMR, Spectral Examinations Report of 2-(2,4-Difluorophenyl)-1,3-Bis-(1,2,4-Triazol-1-yl) Propan-2-ol on the Basis of Boosting Electric and Optical Properties Using DFT

The spectral study of 2-(2, 4-difluorophenyl)-1, 3-bis (1, 2, 4-triazol-1-yl) propan-2-ol (DBP) was done using FT-IR, UV-Visible, and NMR. All of the data has been captured, and the thorough investigation has been completed. DFT calculations were performed using B3LYP with 6-311++G (d, p) basis set and the optimized structure was provided. In the gaseous phase, the DBP compound was studied using UV-Vis spectroscopy and electric absorption. The outcomes of all of the studies were compared to the experimental data, and they were reported to be in good development of optical improvement in electronic devices and chemical composition in developing new products. Microspecies distribution and Van Der Waals distribution studies gave a very good insight in understanding the equilibrium of the molecule and also in knowing the polar surface area of the title compound. Along with these, physic-chemical descriptors are also calculated.